(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate

C19H16N2O4 — CID 135519948

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16N2O4/c1-24-16-9-5-2-6-13(16)10-11-18(22)25-12-17-20-15-8-4-3-7-14(15)19(23)21-17/h2-11H,12H2,1H3,(H,20,21,23)/b11-10+
InChIKeyKIQWJQYNHRBJPY-ZHACJKMWSA-N
MW336.35 g/mol
LogP2.69
Rot. Bonds5

About (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate

(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 135519948) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID135519948
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16N2O4/c1-24-16-9-5-2-6-13(16)10-11-18(22)25-12-17-20-15-8-4-3-7-14(15)19(23)21-17/h2-11H,12H2,1H3,(H,20,21,23)/b11-10+
InChIKeyKIQWJQYNHRBJPY-ZHACJKMWSA-N
XLogP2.69
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 135519948) is (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is KIQWJQYNHRBJPY-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-16-9-5-2-6-13(16)10-11-18(22)25-12-17-20-15-8-4-3-7-14(15)19(23)21-17/h2-11H,12H2,1H3,(H,20,21,23)/b11-10+.
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 336.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 135519948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).